From d4712e0d0742cdee74b6999a737a97659c0fb75d Mon Sep 17 00:00:00 2001
From: Fabian Gruenewald <f.grunewald@rug.nl>
Date: Thu, 15 Aug 2024 18:08:21 +0200
Subject: [PATCH] resolve merge issue

---
 polyply/src/gen_ff.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/polyply/src/gen_ff.py b/polyply/src/gen_ff.py
index bf87d87a..d5452434 100644
--- a/polyply/src/gen_ff.py
+++ b/polyply/src/gen_ff.py
@@ -101,7 +101,7 @@ def gen_ff(itppath, smile_str, outpath, inpath=[], res_charges=None):
         # don't overwrite existing blocks
         if name in force_field.blocks:
             continue
-        new_block = extract_block(target_mol, list(fragment.nodes), defines={})
+        new_block = extract_block(target_mol, fragment, defines={})
         nx.set_node_attributes(new_block, 1, "resid")
         new_block.nrexcl = target_mol.nrexcl
         force_field.blocks[name] = new_block